CID 24842400

96437-70-6

Structural Information

Molecular Formula
C21H27N5O2
SMILES
C[N+]1(CC[N+](CC1)(C)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C
InChI
InChI=1S/C21H26N5O2/c1-25(2)11-13-26(3,14-12-25)15-19(27)24-18-9-5-4-7-16(18)21(28)23-17-8-6-10-22-20(17)24/h4-10H,11-15H2,1-3H3/q+1/p+1
InChIKey
KMUWSQAFQSMTPM-UHFFFAOYSA-O
Compound name
11-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.21646 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 190.0
[M+Na]+ 404.20568 204.7
[M+NH4]+ 399.25028 199.5
[M+K]+ 420.17962 196.7
[M-H]- 380.20918 194.2
[M+Na-2H]- 402.19113 197.9
[M]+ 381.21591 194.2
[M]- 381.21701 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.